[(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(4-phenyloxan-4-yl)methanone

C19H23NO2 — CID 99903712

IUPAC[(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(4-phenyloxan-4-yl)methanone
SMILESO=C(N1[C@H]2CC=C[C@H]1CC2)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H23NO2/c21-18(20-16-7-4-8-17(20)10-9-16)19(11-13-22-14-12-19)15-5-2-1-3-6-15/h1-7,16-17H,8-14H2/t16-,17-/m0/s1
InChIKeyMKRBGPHJRKJQBF-IRXDYDNUSA-N
MW297.40 g/mol
LogP3.05
Rot. Bonds2

About [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(4-phenyloxan-4-yl)methanone

[(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(4-phenyloxan-4-yl)methanone (PubChem CID 99903712) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(4-phenyloxan-4-yl)methanone.

Molecular Properties

Compound Name[(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(4-phenyloxan-4-yl)methanone
PubChem CID99903712
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name[(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(4-phenyloxan-4-yl)methanone
SMILESO=C(N1[C@H]2CC=C[C@H]1CC2)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H23NO2/c21-18(20-16-7-4-8-17(20)10-9-16)19(11-13-22-14-12-19)15-5-2-1-3-6-15/h1-7,16-17H,8-14H2/t16-,17-/m0/s1
InChIKeyMKRBGPHJRKJQBF-IRXDYDNUSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(4-phenyloxan-4-yl)methanone with MolForge

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Related Compounds

(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-(4-phenyloxan-4-yl)methanone
CID 90590873
(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(4-phenyloxan-4-yl)methanone
CID 122273299
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-phenyloxan-4-yl)methanone
CID 71785131
(4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121018084
(4-phenyloxan-4-yl)-[(1S,5S)-3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129454694
1-(4-phenyloxane-4-carbonyl)piperidine-3-carboxylic acid
CID 119128018
(4-phenyloxan-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149929
(2-methylpiperazin-1-yl)-(4-phenyloxan-4-yl)methanone
CID 82250270
(4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 138002316
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 71927745
(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 63394917
[4-(benzenesulfonyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 39906268

Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(4-phenyloxan-4-yl)methanone?
The IUPAC name of [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(4-phenyloxan-4-yl)methanone (CID 99903712) is [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(4-phenyloxan-4-yl)methanone.
What is the SMILES notation for [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(4-phenyloxan-4-yl)methanone?
The canonical SMILES for [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(4-phenyloxan-4-yl)methanone is O=C(N1[C@H]2CC=C[C@H]1CC2)C1(c2ccccc2)CCOCC1.
What is the InChIKey of [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(4-phenyloxan-4-yl)methanone?
The InChIKey is MKRBGPHJRKJQBF-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H23NO2/c21-18(20-16-7-4-8-17(20)10-9-16)19(11-13-22-14-12-19)15-5-2-1-3-6-15/h1-7,16-17H,8-14H2/t16-,17-/m0/s1.
What are the key properties of [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(4-phenyloxan-4-yl)methanone?
[(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(4-phenyloxan-4-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(4-phenyloxan-4-yl)methanone is sourced from PubChem (CID 99903712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).